| SpectraBase Compound ID | LydIl79azIO |
|---|---|
| InChI | InChI=1S/C38H60O16/c1-9-15-25(39)45-21-23-30(32(49-26(40)16-10-2)34(51-28(42)18-12-4)36(47-23)44-20-14-6)53-37-35(52-29(43)19-13-5)33(50-27(41)17-11-3)31-24(48-37)22-46-38(7,8)54-31/h14,23-24,30-37H,6,9-13,15-22H2,1-5,7-8H3/t23-,24-,30+,31+,32-,33-,34-,35-,36+,37-/m0/s1 |
| InChIKey | KZFMUVCOKYQEFQ-ZQTXJMLDSA-N |
| Mol Weight | 772.9 g/mol |
| Molecular Formula | C38H60O16 |
| Exact Mass | 772.388136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWu4xpaPTm4 |
|---|---|
| Name | 1,2,3,6-Tetra-o-butyryl-4-o-(2,3-di-o-butyryl-4,6-o-isopropylidene-B-D-glucopyranosyl)-B-D-glucopyranoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 772.388135836 u |
| Formula | C38H60O16 |
| InChI | InChI=1S/C38H60O16/c1-9-15-25(39)45-21-23-30(32(49-26(40)16-10-2)34(51-28(42)18-12-4)36(47-23)44-20-14-6)53-37-35(52-29(43)19-13-5)33(50-27(41)17-11-3)31-24(48-37)22-46-38(7,8)54-31/h14,23-24,30-37H,6,9-13,15-22H2,1-5,7-8H3/t23-,24-,30+,31+,32-,33-,34-,35-,36+,37-/m0/s1 |
| InChIKey | KZFMUVCOKYQEFQ-ZQTXJMLDSA-N |
| Molecular Weight | 772.882 g/mol |
| SMILES | [C@@]1([C@@](O[C@]([C@]([C@]1(OC(CCC)=O)[H])(OC(CCC)=O)[H])(OCC=C)[H])(COC(=O)CCC)[H])(O[C@@]1(O[C@@]2([C@]([C@@]([C@@]1(OC(CCC)=O)[H])(OC(CCC)=O)[H])(OC(OC2)(C)C)[H])[H])[H])[H] |